Registration Dossier
Registration Dossier
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 204-683-8 | CAS number: 124-13-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- no data
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: No indication of guideline or GLP compliance.
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- publication
- Title:
- An Examination of Octanol and Pentanol Metabolism to Octanoic Acid by Horse Liver Alcohol Dehydrogenase.
- Author:
- Hinson, J.A., Neal, R.A.
- Year:
- 1 975
- Bibliographic source:
- Biochimica et Biophysica. Acta, 384 (1973) 1-11
- Report date:
- 1974
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The rate of oxidation of octanal was determined either spectrophotometrically using a Gilford recording spectrophotometer or by gas chromatography. The enzyme activity was measured spectrophotometrically.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Octanal
- EC Number:
- 204-683-8
- EC Name:
- Octanal
- Cas Number:
- 124-13-0
- Molecular formula:
- C8H16O
- IUPAC Name:
- octanal
- Test material form:
- not specified
- Details on test material:
- - Name of test material (as cited in study report): Octanal
- Other: The Octanal was purified from contaminating octanoic acid and possible contamination with octanol by vacuum distillation
Constituent 1
- Radiolabelling:
- not specified
Test animals
- Species:
- other: horse liver alcohol dehydrogenase
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- Not relevant
Administration / exposure
- Route of administration:
- other: spectrophotometric analysis
- Vehicle:
- not specified
- Remarks:
- see details on exposure section
- Details on exposure:
- The rate of oxidation of octanal was determined either spectrophotometrically using a Gilford recording spectrophotometer or by gas chromatography. The enzyme activity was measured spectrophotometrically by adding horse liver alcohol dehydrogenase to a 10-mm cuvette containing 200 µmol of sodium bicarbonate/C02 buffer, pH 7.4 and NAD+. This solution was temperature equilibrated for 5 min at 37°C. Following equilibration, substrate was quickly added and the initial rate of increase in optical density at 340 nm was measured and compared with the rate observed in a cuvette containing buffer, enzyme, and NAD+ but no substrate. The final volume of all incubations was 2.0 ml.
Solutions of NAD+ and NADH were prepared fresh daily and their concentrations were determined spectrophotometrically.
In the analysis of octanal by gas chromatography, octanal could not be completely extracted from the incubations. As a result of this, its concentration resulting from the enzymatic oxidation of octanol was estimated indirectly by subtracting two times the amount of octanoic acid formed in the incubation from the amount of NADH formed. The remainder was considered to be equal to the amount of octanal present in the incubation at the time of assay. - Duration and frequency of treatment / exposure:
- No additional information provided.
Doses / concentrations
- Remarks:
- Doses / Concentrations:
No additional information provided.
- No. of animals per sex per dose / concentration:
- Not relevant
- Control animals:
- not specified
- Positive control reference chemical:
- No additional information provided.
- Details on study design:
- The rate of oxidation of octanal was determined either spectrophotometrically using a Gilford recording spectrophotometer or by gas chromatography. The enzyme activity was measured spectrophotometrically by adding horse liver alcohol dehydrogenase to a 10-mm cuvette containing 200 µmol of sodium bicarbonate/C02 buffer, pH 7.4 and NAD+. This solution was temperature equilibrated for 5 min at 37°C. Following equilibration, substrate was quickly added and the initial rate of increase in optical density at 340 nm was measured and compared with the rate observed in a cuvette containing buffer, enzyme, and NAD+ but no substrate. The final volume of all incubations was 2.0 ml.
Solutions of NAD+ and NADH were prepared fresh daily and their concentrations were determined spectrophotometrically.
In the analysis of octanal by gas chromatography, octanal could not be completely extracted from the incubations. As a result of this, its concentration resulting from the enzymatic oxidation of octanol was estimated indirectly by subtracting two times the amount of octanoic acid formed in the incubation from the amount of NADH formed. The remainder was considered to be equal to the amount of octanal present in the incubation at the time of assay. - Details on dosing and sampling:
- No additional information provided.
- Statistics:
- Not documented
Results and discussion
- Preliminary studies:
- Not relevant
Main ADME results
- Type:
- metabolism
- Results:
- The rate of reduction of octanal is approximately 750 times greater than the rate of oxidation
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- No information provided.
- Details on distribution in tissues:
- No information provided.
- Details on excretion:
- No information provided.
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- Octanal was metabolized into octanoic acid. The production of octanoic acid is approximately linear over the entire incubation period. Approximately 2 mol of NADH are formed per mol of acid formed. In the presence of 10mM semicarbazide, the rate of octanoic acid formation decreased. However, despite this decrease in the rate of formation, significant amounts are still produced
Any other information on results incl. tables
Octanal is one of the initial products of octanol oxidation by horse liver alcohol dehydrogenase. However, on continued incubation (>2 min) the computed octanal concentration progressively decreases to where only negligible quantities are present in the incubation after 10 min. NADH production appears to be biphasic. An initial phase is followed in about 2 minutes with a slower but linear rate of NADH production.
In the presence of semicarbazide (10mM), the rate of formation of octanal was increased.
Octanal free in the incubation media could then reassociate with the enzyme and, in the presence of NAD+ be oxidized to octanoic acid.
Once an enzyme-octanal-NADH complex has formed, the probability that it will react to form products before either the octanal or NADH dissociates is more likely than is the case with the enzyme· octanal-NAD+ complex. Therefore, high concentrations of NAD+ are required in the incubation to force the reaction in the direction of octanal oxidation. No similar competitive reaction occurs in the oxidation of octanol to octanal.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): bioaccumulation potential cannot be judged based on study results
The results of this study suggest that in the oxidation of octanol to octanoic acid a portion of the octanal formed from octanol is not released from the enzyme but, in the presence of NAD+ is oxidized to octanoic acid. - Executive summary:
In a study conducted by Hinson et al, (1975), the metabolism of the test substance, octanal, was examined. On incubation of octanol with horse liver dehydrogenase in the presence of NAD+, NADH as octanal and octanoic acid were seen as the initial products. However, on continued incubation, the octanal concentration progressively decreased to where only negligible quantities were present in the incubation after 10 min. An initial phase was followed in about 2 min with a slower but linear rate of NADH production. Since octanal is an intermediate in the oxidation of octanol to octanoic acid, the ability of semicarbazide to inhibit the metabolism of octanol to octanoic acid was examined. The results of this study indicate that in the oxidation of octanol to octanoic acid a portion of the octanal formed from octanol is not released from the enzyme but, in the presence of NAD+ is oxidized to octanoic acid.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
